Focused On-demand Library for Aldo-keto reductase family 1 member B15

Focused On-demand Libraries - Reaxense Collaboration

Explore the Potential with AI-Driven Innovation

This comprehensive focused library is produced on demand with state-of-the-art virtual screening and parameter assessment technology driven by Receptor.AI drug discovery platform. This approach outperforms traditional methods and provides higher-quality compounds with superior activity, selectivity and safety.

Our selection of compounds is from a large virtual library of over 60 billion molecules. The production and distribution of these compounds are managed by our partner Reaxense.

In the library, a selection of top modulators is provided, each marked with 38 ADME-Tox and 32 parameters related to physicochemical properties and drug-likeness. Also, every compound comes with its best docking poses, affinity scores, and activity scores, providing a comprehensive overview.

We employ our advanced, specialised process to create targeted libraries for enzymes.

Fig. 1. The sreening workflow of Receptor.AI

The procedure entails thorough molecular simulations of the catalytic and allosteric binding pockets, accompanied by ensemble virtual screening that factors in their conformational flexibility. When developing modulators, the structural modifications brought about by reaction intermediates are factored in to optimize activity and selectivity.

Our library is unique due to several crucial aspects:

Receptor.AI compiles all relevant data on the target protein, such as past experimental results, literature findings, known ligands, and structural data, thereby enhancing the likelihood of focusing on the most significant compounds.
By utilizing advanced molecular simulations, the platform is adept at locating potential binding sites, rendering the compounds in the focused library well-suited for unearthing allosteric inhibitors and binders for hidden pockets.
The platform is supported by more than 50 highly specialized AI models, all of which have been rigorously tested and validated in diverse drug discovery and research programs. Its design emphasizes efficiency, reliability, and accuracy, crucial for producing focused libraries.
Receptor.AI extends beyond just creating focused libraries; it offers a complete spectrum of services and solutions during the preclinical drug discovery phase, with a success-dependent pricing strategy that reduces risk and fosters shared success in the project.

partner

Reaxense

upacc

C9JRZ8

UPID:

AK1BF_HUMAN

Alternative names:

Estradiol 17-beta-dehydrogenase AKR1B15; Farnesol dehydrogenase; Testosterone 17beta-dehydrogenase

Alternative UPACC:

C9JRZ8; C9J3V2

Background:

Aldo-keto reductase family 1 member B15, also known as Estradiol 17-beta-dehydrogenase AKR1B15, Farnesol dehydrogenase, and Testosterone 17beta-dehydrogenase, plays a crucial role in the NADPH-dependent reduction of various carbonyl substrates. This includes aromatic aldehydes, alkenals, ketones, and alpha-dicarbonyl compounds. It exhibits significant enzymatic activity towards all-trans-retinal and 9-cis-retinal, indicating a potential physiological role in retinoid metabolism.

Therapeutic significance:

Understanding the role of Aldo-keto reductase family 1 member B15 could open doors to potential therapeutic strategies, especially in the context of retinoid metabolism and hormonal regulation.